2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid

C21H14F3N3O4 — CID 142429162

IUPAC2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccc(Oc3ccn4cnnc4c3)cc2C(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O4/c22-21(23,24)17-10-15(30-16-6-7-27-12-25-26-19(27)11-16)4-5-18(17)31-14-3-1-2-13(8-14)9-20(28)29/h1-8,10-12H,9H2,(H,28,29)
InChIKeyZOQXCJSKIOEXMX-UHFFFAOYSA-N
MW429.35 g/mol
LogP4.96
Rot. Bonds6

About 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid

2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid (PubChem CID 142429162) has the molecular formula C21H14F3N3O4 and a molecular weight of 429.35 g/mol. Its IUPAC name is 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
PubChem CID142429162
Molecular FormulaC21H14F3N3O4
Molecular Weight429.35 g/mol
Exact Mass429.09
IUPAC Name2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccc(Oc3ccn4cnnc4c3)cc2C(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O4/c22-21(23,24)17-10-15(30-16-6-7-27-12-25-26-19(27)11-16)4-5-18(17)31-14-3-1-2-13(8-14)9-20(28)29/h1-8,10-12H,9H2,(H,28,29)
InChIKeyZOQXCJSKIOEXMX-UHFFFAOYSA-N
XLogP4.96
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid with MolForge

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Related Compounds

2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 135331151
2-[3-[4-[3-(oxetan-3-yl)benzimidazol-5-yl]oxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 135331132
2-[3-[4-(1-methylisoquinolin-8-yl)oxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 135331037
2-[3-[4-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]oxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 135331481
2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 163778981
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
methyl 2-[3-[4-hydroxy-2-(trifluoromethyl)phenoxy]phenyl]acetate
CID 135331023
2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
CID 106704428
N'-amino-2-[3-[4-isoquinolin-8-yloxy-2-(trifluoromethyl)phenoxy]phenyl]ethanimidamide;azane
CID 161270786
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid (CID 142429162) is 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid is O=C(O)Cc1cccc(Oc2ccc(Oc3ccn4cnnc4c3)cc2C(F)(F)F)c1.
What is the InChIKey of 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid?
The InChIKey is ZOQXCJSKIOEXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O4/c22-21(23,24)17-10-15(30-16-6-7-27-12-25-26-19(27)11-16)4-5-18(17)31-14-3-1-2-13(8-14)9-20(28)29/h1-8,10-12H,9H2,(H,28,29).
What are the key properties of 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid?
2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid has a molecular weight of 429.35 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 142429162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).